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Contributor submission AbeH #890

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mite-bot Aug 29, 2026
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mite-bot Aug 29, 2026
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90 changes: 90 additions & 0 deletions mite_data/data/18e08012-a38d-11f1-a881-7d5f8d37e7b5.json
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{
"accession": "MITE9999999",
"status": "pending",
"comment": "Tryptophan 5-halogenase",
"changelog": [
{
"version": "1",
"date": "2026-08-29",
"contributors": [
"0009-0008-8086-5325"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": "New entry."
}
],
"enzyme": {
"name": "AbeH",
"description": "Flavin-dependent halogenase",
"references": [
"doi:10.1021/ja2022653",
"doi:10.1021/acsomega.4c09590"
],
"databaseIds": {
"uniprot": "UPI00020D9059",
"genpept": "AEF32095.1",
"mibig": "BGC0001333"
},
"cofactors": {
"organic": [
"FAD"
]
}
},
"reactions": [
{
"tailoring": [
"Halogenation"
],
"description": "AbeH chlorinates tryptophan in the biosynthesis of BE-54017.",
"reactionSMARTS": "[#7:1]-[#6:2](-[#6:6]-[#6:7]1:[#6:15]:[#7:14]:[#6:9]2:[#6:10]:[#6:11]:[#6:12]:[#6:13]:[#6:8]:1:2)-[#6:3](=[#8:5])-[#8:4]>>[#7:1]-[#6:2](-[#6:6]-[#6:7]1:[#6:15]:[#7:14]:[#6:9]2:[#6:10]:[#6:11]:[#6:12](:[#6:13]:[#6:8]:1:2)-[Cl])-[#6:3](=[#8:5])-[#8:4]",
"reactions": [
{
"substrate": "NC(Cc1c[nH]c2ccccc12)C(=O)O",
"products": [
"NC(Cc1c[nH]c2ccc(Cl)cc12)C(=O)O"
],
"isIntermediate": true,
"description": "AbeH chlorinates and brominates Trp at C5 and can halogenate other substrates with phenyl, quinoline, or indole groups."
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay",
"Knock-out studies"
],
"references": [
"doi:10.1021/acsomega.4c09590",
"doi:10.1021/ja2022653"
]
}
},
{
"tailoring": [
"Halogenation"
],
"description": "AbeH brominates Trp at C5",
"reactionSMARTS": "[#7:1]-[#6:2](-[#6:6]-[#6:7]1:[#6:15]:[#7:14]:[#6:9]2:[#6:10]:[#6:11]:[#6:12]:[#6:13]:[#6:8]:1:2)-[#6:3](=[#8:5])-[#8:4]>>[#7:1]-[#6:2](-[#6:6]-[#6:7]1:[#6:15]:[#7:14]:[#6:9]2:[#6:10]:[#6:11]:[#6:12](:[#6:13]:[#6:8]:1:2)-Br)-[#6:3](=[#8:5])-[#8:4]",
"reactions": [
{
"substrate": "NC(Cc1c[nH]c2ccccc12)C(=O)O",
"products": [
"NC(Cc1c[nH]c2ccc(Br)cc12)C(=O)O"
],
"isIntermediate": false
}
],
"evidence": {
"evidenceCode": [
"In vitro assay"
],
"references": [
"doi:10.1021/acsomega.4c09590"
]
}
}
]
}
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